5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane

C37H38Cl2N12O6 — CID 160921212

IUPAC5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane
SMILESC.COc1ccc(CNC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n2Cc2ccc(OC)cc2)cc1.NC(=O)c1[nH]c(=O)c(Nc2cc(N)ncn2)cc1Cl
InChIInChI=1S/C26H25ClN6O4.C10H9ClN6O2.CH4/c1-36-18-7-3-16(4-8-18)13-29-25(34)24-20(27)11-21(32-23-12-22(28)30-15-31-23)26(35)33(24)14-17-5-9-19(37-2)10-6-17;11-4-1-5(10(19)17-8(4)9(13)18)16-7-2-6(12)14-3-15-7;/h3-12,15H,13-14H2,1-2H3,(H,29,34)(H3,28,30,31,32);1-3H,(H2,13,18)(H,17,19)(H3,12,14,15,16);1H4
InChIKeySSBANCPKAMFYCG-UHFFFAOYSA-N
MW817.69 g/mol
LogP4.49
Rot. Bonds12

About 5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane

5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane (PubChem CID 160921212) has the molecular formula C37H38Cl2N12O6 and a molecular weight of 817.69 g/mol. Its IUPAC name is 5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane.

Molecular Properties

Compound Name5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane
PubChem CID160921212
Molecular FormulaC37H38Cl2N12O6
Molecular Weight817.69 g/mol
Exact Mass816.24
IUPAC Name5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane
SMILESC.COc1ccc(CNC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n2Cc2ccc(OC)cc2)cc1.NC(=O)c1[nH]c(=O)c(Nc2cc(N)ncn2)cc1Cl
InChIInChI=1S/C26H25ClN6O4.C10H9ClN6O2.CH4/c1-36-18-7-3-16(4-8-18)13-29-25(34)24-20(27)11-21(32-23-12-22(28)30-15-31-23)26(35)33(24)14-17-5-9-19(37-2)10-6-17;11-4-1-5(10(19)17-8(4)9(13)18)16-7-2-6(12)14-3-15-7;/h3-12,15H,13-14H2,1-2H3,(H,29,34)(H3,28,30,31,32);1-3H,(H2,13,18)(H,17,19)(H3,12,14,15,16);1H4
InChIKeySSBANCPKAMFYCG-UHFFFAOYSA-N
XLogP4.49
TPSA273.17 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500817.69
LogP ≤ 54.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane with MolForge

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Related Compounds

sodium;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylic acid;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;tert-butyl N-(6-aminopyrimidin-4-yl)carbamate;deuterio(fluoro)methane;ethyl 5-bromo-3-chloro-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxylate;ethyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate;ethyl 3-chloro-1-[(4-methoxyphenyl)methyl]-5-[(6-methylpyrimidin-4-yl)amino]-6-oxopyridine-2-carboxylate;methane;hydroxide
CID 158393572
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348753
6-(2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349205
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171227
methyl 4-chloro-3-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112860294
6-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349236
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
N-benzyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-phenyl-5H-pyrido[4,3-b]indole-1-carboxamide
CID 175532079
3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 103606489
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide
CID 46283236
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348377
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696

Frequently Asked Questions

What is the IUPAC name of 5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane?
The IUPAC name of 5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane (CID 160921212) is 5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane.
What is the SMILES notation for 5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane?
The canonical SMILES for 5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane is C.COc1ccc(CNC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n2Cc2ccc(OC)cc2)cc1.NC(=O)c1[nH]c(=O)c(Nc2cc(N)ncn2)cc1Cl.
What is the InChIKey of 5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane?
The InChIKey is SSBANCPKAMFYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O4.C10H9ClN6O2.CH4/c1-36-18-7-3-16(4-8-18)13-29-25(34)24-20(27)11-21(32-23-12-22(28)30-15-31-23)26(35)33(24)14-17-5-9-19(37-2)10-6-17;11-4-1-5(10(19)17-8(4)9(13)18)16-7-2-6(12)14-3-15-7;/h3-12,15H,13-14H2,1-2H3,(H,29,34)(H3,28,30,31,32);1-3H,(H2,13,18)(H,17,19)(H3,12,14,15,16);1H4.
What are the key properties of 5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane?
5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane has a molecular weight of 817.69 g/mol, XLogP of 4.49, 12 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-N,1-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-2-carboxamide;5-[(6-aminopyrimidin-4-yl)amino]-3-chloro-6-oxo-1H-pyridine-2-carboxamide;methane is sourced from PubChem (CID 160921212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).